Basic information
- CAS
112138-34-8- Standard SMILES
O=C1CCC23CCCC12C(=O)CC3- InChIKey
AJSCTGYMIJHROB-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- (3.3.3)-Propellane-2,8-dione
- IUPAC
- tricyclo[3.3.3.01,5]undecane-2,8-dione
Names & synonyms
(3.3.3)-Propellane-2,8-dione112138-34-8[3.3.3]Propellane-2,8-dioneDTXSID40149927Tetrahydro-1H,4H-3a,6a-propanopentalene-1,7-dione
Database identifiers
- CAS
112138-34-8- PubChem CID
- 145482
- DTXSID
DTXSID40149927
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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